REAL300017549749.mol2 36                                                        
   1       C    -0.15    -1.80     8.24      37.16       0.31    -1.49     16
   2       C    -0.14    -1.73     5.61     -26.73      -0.15    -1.88     16
   3       C     0.18     2.68     1.86     -67.93      -0.13     2.55     16
   4       H     0.08     1.23     7.18     -51.93      -0.37     0.85     16
   5       C    -0.20    -3.80     5.41     -27.88      -0.15    -3.95     16
   6       C     0.49    12.91     7.92      36.00       0.28    13.19     16
   7       O    -0.70   -17.15    12.46     -20.23      -0.25   -17.40     16
   8       O    -0.70   -22.29    18.00     -20.23      -0.36   -22.66     16
   9       N    -1.08   -15.18     4.26      -4.89      -0.02   -15.20     16
  10       S     2.70    36.67     5.52    -107.50      -0.59    36.08     16
  11       O    -0.96   -14.52    17.28     -57.17      -0.99   -15.51     16
  12       O    -0.95   -12.85    12.85     -57.17      -0.73   -13.59     16
  13       C    -0.62    -8.82     3.86     -39.58      -0.15    -8.97     16
  14       C     0.04     0.55     8.62     -39.59      -0.34     0.21     16
  15       C    -0.13    -1.86     8.62     -39.59      -0.34    -2.20     16
  16       C     0.43     7.29     4.82     -39.58      -0.19     7.10     16
  17       F    -0.04    -0.80    16.66       2.25       0.04    -0.76     16
  18       F    -0.19    -4.19    15.31       2.25       0.03    -4.16     16
  19       F    -0.26    -5.37    15.32       2.25       0.03    -5.34     16
  20       F    -0.21    -4.30    15.32       2.25       0.03    -4.26     16
  21       F    -0.11    -2.36    15.31       2.25       0.03    -2.32     16
  22       C    -0.12    -1.89     8.62     -39.58      -0.34    -2.23     16
  23       C     0.06     0.92     8.48     -39.58      -0.34     0.59     16
  24       H     0.06     0.76     7.45     -51.93      -0.39     0.37     16
  25       H     0.06     0.77     6.15     -51.93      -0.32     0.45     16
  26       H     0.04     0.46     8.14     -51.93      -0.42     0.04     16
  27       H     0.07     0.80     8.14     -51.93      -0.42     0.38     16
  28       H     0.06     0.73     8.14     -51.93      -0.42     0.31     16
  29       H     0.07     1.30     8.14     -51.93      -0.42     0.88     16
  30       H     0.06     1.19     8.14     -51.93      -0.42     0.76     16
  31       H     0.42     5.34     8.89     -34.47      -0.31     5.03     16
  32       H     0.18     1.72     7.62     -52.48      -0.40     1.32     16
  33       H     0.18     2.21     7.40     -52.48      -0.39     1.82     16
  34       H     0.18     2.47     7.40     -52.48      -0.39     2.08     16
  35       H     0.18     2.08     7.62     -52.49      -0.40     1.68     16
 Total:         -1.00   -36.81   320.77                 -4.56   -41.37